TOE
  CCTOOLS-0411250958

 27 26  0  0  0  0  0  0  0  0999 V2000
   -4.1950    0.8280   -1.0840 O   0  0  0  0  0
   -3.6780    1.3300    0.1500 C   0  0  0  0  0
   -3.0080    0.1920    0.9220 C   0  0  0  0  0
   -1.8670   -0.2700    0.1950 O   0  0  0  0  0
   -1.1650   -1.3380    0.8330 C   0  0  0  0  0
    0.0300   -1.7500   -0.0290 C   0  0  0  0  0
    0.9640   -0.6700   -0.0960 O   0  0  0  0  0
    2.1230   -0.9520   -0.8820 C   0  0  0  0  0
    3.0480    0.2670   -0.8830 C   0  0  0  0  0
    3.5350    0.4970    0.4410 O   0  0  0  0  0
    4.4120    1.6190    0.5510 C   0  0  0  0  0
   -4.6350    1.4960   -1.6270 H   0  0  0  0  0
   -2.9470    2.1120   -0.0540 H   0  0  0  0  0
   -4.4940    1.7410    0.7440 H   0  0  0  0  0
   -2.6930    0.5530    1.9010 H   0  0  0  0  0
   -3.7150   -0.6280    1.0480 H   0  0  0  0  0
   -0.8120   -1.0080    1.8100 H   0  0  0  0  0
   -1.8340   -2.1900    0.9570 H   0  0  0  0  0
    0.5130   -2.6210    0.4120 H   0  0  0  0  0
   -0.3140   -1.9950   -1.0340 H   0  0  0  0  0
    2.6500   -1.8070   -0.4590 H   0  0  0  0  0
    1.8220   -1.1800   -1.9040 H   0  0  0  0  0
    3.8880    0.0860   -1.5530 H   0  0  0  0  0
    2.4940    1.1430   -1.2230 H   0  0  0  0  0
    3.8870    2.5230    0.2410 H   0  0  0  0  0
    4.7380    1.7260    1.5860 H   0  0  0  0  0
    5.2810    1.4660   -0.0890 H   0  0  0  0  0
  1 12  1  0  0  0
  2  1  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  2 14  1  0  0  0
  3 15  1  0  0  0
  3 16  1  0  0  0
  4  3  1  0  0  0
  4  5  1  0  0  0
  5 17  1  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  6  5  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  8  7  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9  8  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10  9  1  0  0  0
 11 10  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
M  END
$$$$
